2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride

C7H17ClN2O2 — CID 139756147

IUPAC2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride
SMILESCC(C)C1(O)NCC(O)CN1.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-5(2)7(11)8-3-6(10)4-9-7;/h5-6,8-11H,3-4H2,1-2H3;1H
InChIKeyFEUAOKZSARHJNV-UHFFFAOYSA-N
MW196.68 g/mol
LogP-0.74
Rot. Bonds1

About 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride

2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride (PubChem CID 139756147) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride
PubChem CID139756147
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC Name2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride
SMILESCC(C)C1(O)NCC(O)CN1.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-5(2)7(11)8-3-6(10)4-9-7;/h5-6,8-11H,3-4H2,1-2H3;1H
InChIKeyFEUAOKZSARHJNV-UHFFFAOYSA-N
XLogP-0.74
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride?
The IUPAC name of 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride (CID 139756147) is 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride?
The canonical SMILES for 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride is CC(C)C1(O)NCC(O)CN1.Cl.
What is the InChIKey of 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride?
The InChIKey is FEUAOKZSARHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-5(2)7(11)8-3-6(10)4-9-7;/h5-6,8-11H,3-4H2,1-2H3;1H.
What are the key properties of 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride?
2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of -0.74, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-diazinane-2,5-diol;hydrochloride is sourced from PubChem (CID 139756147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).